smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C)cc1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826190227 607351344 /nfs/dbraw/zinc/35/13/44/607351344.db2.gz USOQJGKQFHSIAH-UHFFFAOYSA-N -1 3 338.371 1.870 20 50 EDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@@H]1CCOc2ccccc21 ZINC000826446621 607357089 /nfs/dbraw/zinc/35/70/89/607357089.db2.gz RWZMWBVGPLCYGH-CQSZACIVSA-N -1 3 336.355 1.876 20 50 EDGDHM COc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1OC ZINC000826187518 607711797 /nfs/dbraw/zinc/71/17/97/607711797.db2.gz UNYRGCJBGIMMNM-UHFFFAOYSA-N -1 3 340.343 1.641 20 50 EDGDHM COc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1OC ZINC000826187518 607711799 /nfs/dbraw/zinc/71/17/99/607711799.db2.gz UNYRGCJBGIMMNM-UHFFFAOYSA-N -1 3 340.343 1.641 20 50 EDGDHM CC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000824000081 607714881 /nfs/dbraw/zinc/71/48/81/607714881.db2.gz TVAAXKPGTKVSCC-UHFFFAOYSA-N -1 3 337.343 1.582 20 50 EDGDHM CC(=O)Nc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000824000081 607714884 /nfs/dbraw/zinc/71/48/84/607714884.db2.gz TVAAXKPGTKVSCC-UHFFFAOYSA-N -1 3 337.343 1.582 20 50 EDGDHM C[C@@H](OCc1ccccc1)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824732061 607720514 /nfs/dbraw/zinc/72/05/14/607720514.db2.gz ZRKMIJOULMCVSW-GFCCVEGCSA-N -1 3 338.371 1.915 20 50 EDGDHM C[C@@H](OCc1ccccc1)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824732061 607720516 /nfs/dbraw/zinc/72/05/16/607720516.db2.gz ZRKMIJOULMCVSW-GFCCVEGCSA-N -1 3 338.371 1.915 20 50 EDGDHM O=C(NN=c1nc[nH]c2ccsc21)c1cc(-c2nnn[n-]2)cs1 ZINC000823285719 607097339 /nfs/dbraw/zinc/09/73/39/607097339.db2.gz ZOISRPGNDKHCMS-UHFFFAOYSA-N -1 3 344.385 1.690 20 50 EDGDHM O=C(NN=c1nc[nH]c2ccsc21)c1cc(-c2nn[n-]n2)cs1 ZINC000823285719 607097341 /nfs/dbraw/zinc/09/73/41/607097341.db2.gz ZOISRPGNDKHCMS-UHFFFAOYSA-N -1 3 344.385 1.690 20 50 EDGDHM O=C(C[C@H](O)c1cccc(F)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826404145 608277426 /nfs/dbraw/zinc/27/74/26/608277426.db2.gz PKDVZCLXTLHEOR-AWEZNQCLSA-N -1 3 342.334 1.573 20 50 EDGDHM O=C(C[C@H](O)c1cccc(F)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826404145 608277427 /nfs/dbraw/zinc/27/74/27/608277427.db2.gz PKDVZCLXTLHEOR-AWEZNQCLSA-N -1 3 342.334 1.573 20 50 EDGDHM N#CC1=CCN(C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826380595 608387172 /nfs/dbraw/zinc/38/71/72/608387172.db2.gz GTYQBVPLIZGBTJ-UHFFFAOYSA-N -1 3 340.412 1.782 20 50 EDGDHM N#CC1=CCN(C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380595 608387174 /nfs/dbraw/zinc/38/71/74/608387174.db2.gz GTYQBVPLIZGBTJ-UHFFFAOYSA-N -1 3 340.412 1.782 20 50 EDGDHM O=C(CCc1ccc(-c2nnn[n-]2)cc1)NN=c1[nH]c2ccccc2[nH]1 ZINC000826408847 608549507 /nfs/dbraw/zinc/54/95/07/608549507.db2.gz XJGIWZLBAFZWAY-UHFFFAOYSA-N -1 3 348.370 1.819 20 50 EDGDHM O=C(CCc1ccc(-c2nn[n-]n2)cc1)NN=c1[nH]c2ccccc2[nH]1 ZINC000826408847 608549508 /nfs/dbraw/zinc/54/95/08/608549508.db2.gz XJGIWZLBAFZWAY-UHFFFAOYSA-N -1 3 348.370 1.819 20 50 EDGDHM C[C@H](NS(=O)(=O)CBr)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633833 608803586 /nfs/dbraw/zinc/80/35/86/608803586.db2.gz QQCRCSSCIVYZSK-ZETCQYMHSA-N -1 3 346.210 1.200 20 50 EDGDHM C[C@H](NS(=O)(=O)CBr)c1ccc(-c2nn[n-]n2)cc1 ZINC000824633833 608803587 /nfs/dbraw/zinc/80/35/87/608803587.db2.gz QQCRCSSCIVYZSK-ZETCQYMHSA-N -1 3 346.210 1.200 20 50 EDGDHM CC(C)Oc1ccc(-c2nnn[n-]2)cc1NC(=O)NNC(=O)C(C)C ZINC000824319671 608842696 /nfs/dbraw/zinc/84/26/96/608842696.db2.gz YISAOAYAHQUURG-UHFFFAOYSA-N -1 3 347.379 1.463 20 50 EDGDHM CC(C)Oc1ccc(-c2nn[n-]n2)cc1NC(=O)NNC(=O)C(C)C ZINC000824319671 608842700 /nfs/dbraw/zinc/84/27/00/608842700.db2.gz YISAOAYAHQUURG-UHFFFAOYSA-N -1 3 347.379 1.463 20 50 EDGDHM N#CCc1ccccc1CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826382734 609260469 /nfs/dbraw/zinc/26/04/69/609260469.db2.gz RYYNTXHNRBFZEZ-UHFFFAOYSA-N -1 3 333.355 1.619 20 50 EDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)[C@H](F)Cc1ccccc1 ZINC000826446670 609391211 /nfs/dbraw/zinc/39/12/11/609391211.db2.gz UJGDNRMIDKWIGP-CQSZACIVSA-N -1 3 326.335 1.891 20 50 EDGDHM N#Cc1cc(C(=O)NNc2ccc(-c3nnn[n-]3)c(Cl)c2)c[nH]1 ZINC000826383672 609498031 /nfs/dbraw/zinc/49/80/31/609498031.db2.gz LCZILNHDFLRTDM-UHFFFAOYSA-N -1 3 328.723 1.477 20 50 EDGDHM N#Cc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)c(Cl)c2)c[nH]1 ZINC000826383672 609498033 /nfs/dbraw/zinc/49/80/33/609498033.db2.gz LCZILNHDFLRTDM-UHFFFAOYSA-N -1 3 328.723 1.477 20 50 EDGDHM CCc1ccccc1OCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000825727941 607335736 /nfs/dbraw/zinc/33/57/36/607335736.db2.gz GIEBKWIQEPWSOL-UHFFFAOYSA-N -1 3 338.371 1.951 20 50 EDGDHM CCc1ccccc1OCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000825727941 607335738 /nfs/dbraw/zinc/33/57/38/607335738.db2.gz GIEBKWIQEPWSOL-UHFFFAOYSA-N -1 3 338.371 1.951 20 50 EDGDHM COc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1F ZINC000826187139 607340455 /nfs/dbraw/zinc/34/04/55/607340455.db2.gz BUWVEPFBVGEFAT-UHFFFAOYSA-N -1 3 328.307 1.771 20 50 EDGDHM CCc1ccc(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000825717175 607350146 /nfs/dbraw/zinc/35/01/46/607350146.db2.gz IHLXYHBSXNXGTQ-UHFFFAOYSA-N -1 3 338.371 1.951 20 50 EDGDHM O=Cc1ccc(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826484149 607353451 /nfs/dbraw/zinc/35/34/51/607353451.db2.gz PMLNKNRKLPHBCB-UHFFFAOYSA-N -1 3 338.327 1.201 20 50 EDGDHM Cc1nc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c2ccccn12 ZINC000826323592 607717568 /nfs/dbraw/zinc/71/75/68/607717568.db2.gz JXOHVPULBBRKNA-UHFFFAOYSA-N -1 3 334.343 1.580 20 50 EDGDHM Cc1nc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c2ccccn12 ZINC000826323592 607717570 /nfs/dbraw/zinc/71/75/70/607717570.db2.gz JXOHVPULBBRKNA-UHFFFAOYSA-N -1 3 334.343 1.580 20 50 EDGDHM Cn1nc2c(c1C(=O)NNc1cccc(-c3nnn[n-]3)c1)CCCC2 ZINC000826365733 607719674 /nfs/dbraw/zinc/71/96/74/607719674.db2.gz AWQMXJNAWSCVHK-UHFFFAOYSA-N -1 3 338.375 1.236 20 50 EDGDHM Cn1nc2c(c1C(=O)NNc1cccc(-c3nn[n-]n3)c1)CCCC2 ZINC000826365733 607719676 /nfs/dbraw/zinc/71/96/76/607719676.db2.gz AWQMXJNAWSCVHK-UHFFFAOYSA-N -1 3 338.375 1.236 20 50 EDGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1cccc(C#N)c1 ZINC000824745312 607725570 /nfs/dbraw/zinc/72/55/70/607725570.db2.gz QUTHFEPYJFRPDI-LLVKDONJSA-N -1 3 349.354 1.649 20 50 EDGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1cccc(C#N)c1 ZINC000824745312 607725571 /nfs/dbraw/zinc/72/55/71/607725571.db2.gz QUTHFEPYJFRPDI-LLVKDONJSA-N -1 3 349.354 1.649 20 50 EDGDHM O=C(NNc1ccccc1Br)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449553 607756529 /nfs/dbraw/zinc/75/65/29/607756529.db2.gz YNCVTMXFRCRQNL-UHFFFAOYSA-N -1 3 348.164 1.714 20 50 EDGDHM O=C(NNc1ccccc1Br)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449553 607756530 /nfs/dbraw/zinc/75/65/30/607756530.db2.gz YNCVTMXFRCRQNL-UHFFFAOYSA-N -1 3 348.164 1.714 20 50 EDGDHM O=C(NNc1ccc(Br)cc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823281809 606253233 /nfs/dbraw/zinc/25/32/33/606253233.db2.gz YHJHIBCNAIHVEF-UHFFFAOYSA-N -1 3 348.164 1.714 20 50 EDGDHM O=C(NNc1ccc(Br)cc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823281809 606253234 /nfs/dbraw/zinc/25/32/34/606253234.db2.gz YHJHIBCNAIHVEF-UHFFFAOYSA-N -1 3 348.164 1.714 20 50 EDGDHM CC1(C)CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824803446 607894048 /nfs/dbraw/zinc/89/40/48/607894048.db2.gz UVAVSPJVJGTSMC-ZDUSSCGKSA-N -1 3 342.403 1.844 20 50 EDGDHM CC1(C)CCC[C@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824803446 607894049 /nfs/dbraw/zinc/89/40/49/607894049.db2.gz UVAVSPJVJGTSMC-ZDUSSCGKSA-N -1 3 342.403 1.844 20 50 EDGDHM C[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CC[C@@H]1C ZINC000824949618 608311210 /nfs/dbraw/zinc/31/12/10/608311210.db2.gz YGXDZTSKYOHFBG-QWRGUYRKSA-N -1 3 343.391 1.199 20 50 EDGDHM C[C@H]1CN(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CC[C@@H]1C ZINC000824949618 608311212 /nfs/dbraw/zinc/31/12/12/608311212.db2.gz YGXDZTSKYOHFBG-QWRGUYRKSA-N -1 3 343.391 1.199 20 50 EDGDHM Cc1cc(C)[nH]c(=NNC(=O)Nc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000826265527 608813533 /nfs/dbraw/zinc/81/35/33/608813533.db2.gz CRERAUFVHZGTQC-UHFFFAOYSA-N -1 3 343.326 1.561 20 50 EDGDHM Cc1cc(C)[nH]c(=NNC(=O)Nc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000826265527 608813534 /nfs/dbraw/zinc/81/35/34/608813534.db2.gz CRERAUFVHZGTQC-UHFFFAOYSA-N -1 3 343.326 1.561 20 50 EDGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nnn[n-]2)cn1 ZINC000826273250 609263073 /nfs/dbraw/zinc/26/30/73/609263073.db2.gz VJEMQNYYNGQZHF-UHFFFAOYSA-N -1 3 346.354 1.875 20 50 EDGDHM Cc1cc2ccccc2[nH]c1=NNC(=O)c1ccc(-c2nn[n-]n2)cn1 ZINC000826273250 609263074 /nfs/dbraw/zinc/26/30/74/609263074.db2.gz VJEMQNYYNGQZHF-UHFFFAOYSA-N -1 3 346.354 1.875 20 50 EDGDHM COc1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)ccc1F ZINC000826176956 607338305 /nfs/dbraw/zinc/33/83/05/607338305.db2.gz LLCTUIYRVZPXAB-UHFFFAOYSA-N -1 3 328.307 1.771 20 50 EDGDHM CC(C)(C)C(=O)NCCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824072669 607718192 /nfs/dbraw/zinc/71/81/92/607718192.db2.gz XKEJDIVJTVIIDX-UHFFFAOYSA-N -1 3 345.407 1.252 20 50 EDGDHM CC(C)(C)C(=O)NCCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824072669 607718195 /nfs/dbraw/zinc/71/81/95/607718195.db2.gz XKEJDIVJTVIIDX-UHFFFAOYSA-N -1 3 345.407 1.252 20 50 EDGDHM CS[C@@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826226053 607764276 /nfs/dbraw/zinc/76/42/76/607764276.db2.gz RAPXBCOGIKBBGO-NRIUJFNNSA-N -1 3 345.432 1.288 20 50 EDGDHM CS[C@@H](C)CNC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826226053 607764277 /nfs/dbraw/zinc/76/42/77/607764277.db2.gz RAPXBCOGIKBBGO-NRIUJFNNSA-N -1 3 345.432 1.288 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)N[C@@H]1CCCc2[nH]ccc21 ZINC000823280785 606176881 /nfs/dbraw/zinc/17/68/81/606176881.db2.gz GFDKOWQIVCGCCP-CQSZACIVSA-N -1 3 338.375 1.899 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)N[C@@H]1CCCc2[nH]ccc21 ZINC000823280785 606176883 /nfs/dbraw/zinc/17/68/83/606176883.db2.gz GFDKOWQIVCGCCP-CQSZACIVSA-N -1 3 338.375 1.899 20 50 EDGDHM N#Cc1ccccc1OCC(=O)NN=Cc1ccccc1-c1nnn[n-]1 ZINC000826387457 607882765 /nfs/dbraw/zinc/88/27/65/607882765.db2.gz WDRARJSRYPIKSW-UHFFFAOYSA-N -1 3 347.338 1.267 20 50 EDGDHM N#Cc1ccccc1OCC(=O)NN=Cc1ccccc1-c1nn[n-]n1 ZINC000826387457 607882766 /nfs/dbraw/zinc/88/27/66/607882766.db2.gz WDRARJSRYPIKSW-UHFFFAOYSA-N -1 3 347.338 1.267 20 50 EDGDHM CCC[C@@H]1C[C@@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825251187 609164265 /nfs/dbraw/zinc/16/42/65/609164265.db2.gz AMXCFDUDIHSEIQ-GXTWGEPZSA-N -1 3 330.392 1.905 20 50 EDGDHM CCC[C@@H]1C[C@@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825251187 609164266 /nfs/dbraw/zinc/16/42/66/609164266.db2.gz AMXCFDUDIHSEIQ-GXTWGEPZSA-N -1 3 330.392 1.905 20 50 EDGDHM CC(=NNC(=O)c1ccncc1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823953814 609273475 /nfs/dbraw/zinc/27/34/75/609273475.db2.gz RDEFZNAJRGFFBR-UHFFFAOYSA-N -1 3 325.307 1.555 20 50 EDGDHM CC(=NNC(=O)c1ccncc1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823953814 609273477 /nfs/dbraw/zinc/27/34/77/609273477.db2.gz RDEFZNAJRGFFBR-UHFFFAOYSA-N -1 3 325.307 1.555 20 50 EDGDHM CCOC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000825484826 609302548 /nfs/dbraw/zinc/30/25/48/609302548.db2.gz AYQJBVIPJNGAKN-MDWZMJQESA-N -1 3 349.354 1.737 20 50 EDGDHM CCOC(=O)C(C#N)=Cc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC000825484826 609302550 /nfs/dbraw/zinc/30/25/50/609302550.db2.gz AYQJBVIPJNGAKN-MDWZMJQESA-N -1 3 349.354 1.737 20 50 EDGDHM C[C@@H](Oc1cccnc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824757367 607347985 /nfs/dbraw/zinc/34/79/85/607347985.db2.gz VQIIDXZHWPCNFV-SNVBAGLBSA-N -1 3 325.332 1.172 20 50 EDGDHM O=C(C[C@H]1C(=O)Nc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826403868 607348489 /nfs/dbraw/zinc/34/84/89/607348489.db2.gz GMZJDHKCAMACJV-CYBMUJFWSA-N -1 3 349.354 1.436 20 50 EDGDHM Cc1ccc(F)c(OCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826290075 607346869 /nfs/dbraw/zinc/34/68/69/607346869.db2.gz YZPXCQKWZTZHKW-UHFFFAOYSA-N -1 3 342.334 1.836 20 50 EDGDHM CC(C)Nc1ncccc1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824304877 607351050 /nfs/dbraw/zinc/35/10/50/607351050.db2.gz HLJTUSXXXOKWLJ-UHFFFAOYSA-N -1 3 338.375 1.839 20 50 EDGDHM CC(C)c1noc(CCC(=O)NNc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000824371598 607354799 /nfs/dbraw/zinc/35/47/99/607354799.db2.gz LFUQNHBZRZUPOG-UHFFFAOYSA-N -1 3 342.363 1.449 20 50 EDGDHM CCNc1ncc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000825485516 607462840 /nfs/dbraw/zinc/46/28/40/607462840.db2.gz GTXLIAAMIWOSIP-UHFFFAOYSA-N -1 3 330.377 1.512 20 50 EDGDHM CCNc1ncc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000825485516 607462843 /nfs/dbraw/zinc/46/28/43/607462843.db2.gz GTXLIAAMIWOSIP-UHFFFAOYSA-N -1 3 330.377 1.512 20 50 EDGDHM CCc1nc(C)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)s1 ZINC000825745756 607717020 /nfs/dbraw/zinc/71/70/20/607717020.db2.gz NYZXTVGZSRUOSH-UHFFFAOYSA-N -1 3 329.389 1.951 20 50 EDGDHM CCc1nc(C)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)s1 ZINC000825745756 607717022 /nfs/dbraw/zinc/71/70/22/607717022.db2.gz NYZXTVGZSRUOSH-UHFFFAOYSA-N -1 3 329.389 1.951 20 50 EDGDHM N#Cc1cccc(NNC(=O)CNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826387195 607726556 /nfs/dbraw/zinc/72/65/56/607726556.db2.gz KFQWVRIOJYHWIL-UHFFFAOYSA-N -1 3 334.343 1.294 20 50 EDGDHM Cn1nc(C(C)(C)C)cc1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826365927 607731658 /nfs/dbraw/zinc/73/16/58/607731658.db2.gz KNWWXBFLLWEESM-UHFFFAOYSA-N -1 3 340.391 1.655 20 50 EDGDHM Cn1nc(C(C)(C)C)cc1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826365927 607731659 /nfs/dbraw/zinc/73/16/59/607731659.db2.gz KNWWXBFLLWEESM-UHFFFAOYSA-N -1 3 340.391 1.655 20 50 EDGDHM O=C(NNc1ccc(Br)nc1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000823281162 606274871 /nfs/dbraw/zinc/27/48/71/606274871.db2.gz MZNXJOVIHNVLRO-UHFFFAOYSA-N -1 3 349.152 1.109 20 50 EDGDHM O=C(NNc1ccc(Br)nc1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000823281162 606274872 /nfs/dbraw/zinc/27/48/72/606274872.db2.gz MZNXJOVIHNVLRO-UHFFFAOYSA-N -1 3 349.152 1.109 20 50 EDGDHM N#Cc1cc(Cl)nc(NNC(=O)c2sccc2-c2nnn[n-]2)c1 ZINC000826384066 608582109 /nfs/dbraw/zinc/58/21/09/608582109.db2.gz FPAFVJCBPBHOFC-UHFFFAOYSA-N -1 3 346.763 1.605 20 50 EDGDHM N#Cc1cc(Cl)nc(NNC(=O)c2sccc2-c2nn[n-]n2)c1 ZINC000826384066 608582111 /nfs/dbraw/zinc/58/21/11/608582111.db2.gz 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ZINC000825038489 609458604 /nfs/dbraw/zinc/45/86/04/609458604.db2.gz CXAKEUZRNMWOPL-LBPRGKRZSA-N -1 3 339.359 1.150 20 50 EDGDHM Cc1cc2ncc(C(=O)NNc3ccc(-c4nn[n-]n4)cc3)c(C)n2n1 ZINC000826273141 607340652 /nfs/dbraw/zinc/34/06/52/607340652.db2.gz RDYZXCCEQYJZEG-UHFFFAOYSA-N -1 3 349.358 1.283 20 50 EDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cn(-c2ccccc2)nn1 ZINC000826447552 607341393 /nfs/dbraw/zinc/34/13/93/607341393.db2.gz LBPHIMOUALOGSB-UHFFFAOYSA-N -1 3 347.342 1.204 20 50 EDGDHM Cc1nc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c2ccccn12 ZINC000826323649 607343597 /nfs/dbraw/zinc/34/35/97/607343597.db2.gz LYRYJNVSJVUUFB-UHFFFAOYSA-N -1 3 334.343 1.580 20 50 EDGDHM O=Cc1ccccc1OCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826484105 607353437 /nfs/dbraw/zinc/35/34/37/607353437.db2.gz NPSNAZIHQLTFTB-UHFFFAOYSA-N -1 3 338.327 1.201 20 50 EDGDHM CCc1ccccc1OCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000825728586 607355137 /nfs/dbraw/zinc/35/51/37/607355137.db2.gz QXTJFYQFVOJFIZ-UHFFFAOYSA-N -1 3 338.371 1.951 20 50 EDGDHM Cc1cc(F)ccc1NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000826269015 607393049 /nfs/dbraw/zinc/39/30/49/607393049.db2.gz XRYLTTIFXGPQRE-UHFFFAOYSA-N -1 3 342.334 1.836 20 50 EDGDHM Cc1c(NNC(=O)c2cc(-c3nnn[n-]3)c[nH]2)cccc1[N+](=O)[O-] ZINC000826243035 607396082 /nfs/dbraw/zinc/39/60/82/607396082.db2.gz RDXZCMAGWVXMIC-UHFFFAOYSA-N -1 3 328.292 1.168 20 50 EDGDHM Cc1c(NNC(=O)c2cc(-c3nn[n-]n3)c[nH]2)cccc1[N+](=O)[O-] ZINC000826243035 607396084 /nfs/dbraw/zinc/39/60/84/607396084.db2.gz RDXZCMAGWVXMIC-UHFFFAOYSA-N -1 3 328.292 1.168 20 50 EDGDHM COc1cccc(OC)c1C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826217610 607463025 /nfs/dbraw/zinc/46/30/25/607463025.db2.gz VCAGXBDOVPSPPR-UHFFFAOYSA-N -1 3 340.343 1.641 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(-c2ccco2)n[nH]1 ZINC000826448192 607720060 /nfs/dbraw/zinc/72/00/60/607720060.db2.gz LJLKHXXTPDFOJE-UHFFFAOYSA-N -1 3 336.315 1.607 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(-c2ccco2)n[nH]1 ZINC000826448192 607720062 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CC(C)n1cccc1C(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824371822 608120462 /nfs/dbraw/zinc/12/04/62/608120462.db2.gz UOMBKPSBMUDLTO-UHFFFAOYSA-N -1 3 339.359 1.324 20 50 EDGDHM CCC1(O)CCC(NC(=O)NNc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000825176626 608274014 /nfs/dbraw/zinc/27/40/14/608274014.db2.gz ZZKCQVGOAMONMQ-UHFFFAOYSA-N -1 3 345.407 1.577 20 50 EDGDHM CCC1(O)CCC(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000825176626 608274016 /nfs/dbraw/zinc/27/40/16/608274016.db2.gz ZZKCQVGOAMONMQ-UHFFFAOYSA-N -1 3 345.407 1.577 20 50 EDGDHM C=CCCC[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823894706 608589522 /nfs/dbraw/zinc/58/95/22/608589522.db2.gz WIIYKZAJHDQVFX-LLVKDONJSA-N -1 3 343.391 1.556 20 50 EDGDHM C=CCCC[C@@H](C)NC(=O)NNC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823894706 608589524 /nfs/dbraw/zinc/58/95/24/608589524.db2.gz WIIYKZAJHDQVFX-LLVKDONJSA-N -1 3 343.391 1.556 20 50 EDGDHM Cc1cn2cc(NC(=O)NNc3cccc(-c4nnn[n-]4)c3)ccc2n1 ZINC000826316936 608809471 /nfs/dbraw/zinc/80/94/71/608809471.db2.gz FYYSWBQICVEOEA-UHFFFAOYSA-N -1 3 349.358 1.971 20 50 EDGDHM Cc1cn2cc(NC(=O)NNc3cccc(-c4nn[n-]n4)c3)ccc2n1 ZINC000826316936 608809472 /nfs/dbraw/zinc/80/94/72/608809472.db2.gz FYYSWBQICVEOEA-UHFFFAOYSA-N -1 3 349.358 1.971 20 50 EDGDHM COc1cccc(NNC(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)n1 ZINC000826217585 609262806 /nfs/dbraw/zinc/26/28/06/609262806.db2.gz UAXMPBFTIUJFLR-UHFFFAOYSA-N -1 3 345.750 1.681 20 50 EDGDHM COc1cccc(NNC(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)n1 ZINC000826217585 609262807 /nfs/dbraw/zinc/26/28/07/609262807.db2.gz UAXMPBFTIUJFLR-UHFFFAOYSA-N -1 3 345.750 1.681 20 50 EDGDHM CC1(C(=O)NNC(=O)c2ccc(-c3nnn[n-]3)cc2)CCCCCC1 ZINC000824783679 609295371 /nfs/dbraw/zinc/29/53/71/609295371.db2.gz IMDQDNRPCHWZQL-UHFFFAOYSA-N -1 3 342.403 1.988 20 50 EDGDHM CC1(C(=O)NNC(=O)c2ccc(-c3nn[n-]n3)cc2)CCCCCC1 ZINC000824783679 609295373 /nfs/dbraw/zinc/29/53/73/609295373.db2.gz IMDQDNRPCHWZQL-UHFFFAOYSA-N -1 3 342.403 1.988 20 50 EDGDHM CC[C@@H]1C[C@H](CC(=O)NNc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825184538 609416847 /nfs/dbraw/zinc/41/68/47/609416847.db2.gz VUJUCESBXHSOBU-BXUZGUMPSA-N -1 3 330.392 1.905 20 50 EDGDHM CC[C@@H]1C[C@H](CC(=O)NNc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825184538 609416849 /nfs/dbraw/zinc/41/68/49/609416849.db2.gz VUJUCESBXHSOBU-BXUZGUMPSA-N -1 3 330.392 1.905 20 50 EDGDHM O=C(COc1ccccc1F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826419407 607336138 /nfs/dbraw/zinc/33/61/38/607336138.db2.gz WUMASZUHMUGEGB-UHFFFAOYSA-N -1 3 328.307 1.528 20 50 EDGDHM O=C(COc1ccccc1F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826419407 607336140 /nfs/dbraw/zinc/33/61/40/607336140.db2.gz WUMASZUHMUGEGB-UHFFFAOYSA-N -1 3 328.307 1.528 20 50 EDGDHM C[C@@H]1CCCC[C@H]1OCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824936688 607340376 /nfs/dbraw/zinc/34/03/76/607340376.db2.gz LGMVFQRHLYVFOC-BXUZGUMPSA-N -1 3 330.392 1.905 20 50 EDGDHM Cc1noc(Cl)c1CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826340147 607342060 /nfs/dbraw/zinc/34/20/60/607342060.db2.gz JSIQRFQWECARLA-UHFFFAOYSA-N -1 3 347.766 1.892 20 50 EDGDHM Cc1nn(C)c(C)c1[C@H](C)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826333146 607348231 /nfs/dbraw/zinc/34/82/31/607348231.db2.gz VZJIIKDJWRVUHT-VIFPVBQESA-N -1 3 340.391 1.464 20 50 EDGDHM Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c(Cl)n1 ZINC000826282137 607351382 /nfs/dbraw/zinc/35/13/82/607351382.db2.gz ZTZCTEMEQHNVGB-UHFFFAOYSA-N -1 3 329.751 1.980 20 50 EDGDHM Cc1nn(C)c(C)c1CCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826333297 607352872 /nfs/dbraw/zinc/35/28/72/607352872.db2.gz BWWLHJIDAZCUSX-UHFFFAOYSA-N -1 3 340.391 1.293 20 50 EDGDHM O=C(CN1CCc2ccccc21)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826411854 607353042 /nfs/dbraw/zinc/35/30/42/607353042.db2.gz QFNXVZWWSSTRMC-UHFFFAOYSA-N -1 3 335.371 1.373 20 50 EDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1cc(-n2cccn2)ccn1 ZINC000826446566 607357228 /nfs/dbraw/zinc/35/72/28/607357228.db2.gz QKRCLWGXIXHKHC-UHFFFAOYSA-N -1 3 347.342 1.204 20 50 EDGDHM O=C(Cc1cccc(-c2nnn[n-]2)c1)NNc1cccc([N+](=O)[O-])c1 ZINC000826423313 607712381 /nfs/dbraw/zinc/71/23/81/607712381.db2.gz IQJUQLKOMNQCTR-UHFFFAOYSA-N -1 3 339.315 1.461 20 50 EDGDHM O=C(Cc1cccc(-c2nn[n-]n2)c1)NNc1cccc([N+](=O)[O-])c1 ZINC000826423313 607712383 /nfs/dbraw/zinc/71/23/83/607712383.db2.gz IQJUQLKOMNQCTR-UHFFFAOYSA-N -1 3 339.315 1.461 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cccc(-n2cccn2)c1 ZINC000826448722 607714525 /nfs/dbraw/zinc/71/45/25/607714525.db2.gz IGVZHXMDQCRKTP-UHFFFAOYSA-N -1 3 346.354 1.809 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cccc(-n2cccn2)c1 ZINC000826448722 607714527 /nfs/dbraw/zinc/71/45/27/607714527.db2.gz IGVZHXMDQCRKTP-UHFFFAOYSA-N -1 3 346.354 1.809 20 50 EDGDHM CC(C)NC(=O)CCCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824300709 607717285 /nfs/dbraw/zinc/71/72/85/607717285.db2.gz JQNKZOTUSYOKBV-UHFFFAOYSA-N -1 3 331.380 1.005 20 50 EDGDHM CC(C)NC(=O)CCCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824300709 607717286 /nfs/dbraw/zinc/71/72/86/607717286.db2.gz JQNKZOTUSYOKBV-UHFFFAOYSA-N -1 3 331.380 1.005 20 50 EDGDHM Cc1nc(CC(=O)NNc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000826324864 607719590 /nfs/dbraw/zinc/71/95/90/607719590.db2.gz HHJNFRFVDMEREI-UHFFFAOYSA-N -1 3 329.389 1.626 20 50 EDGDHM Cc1nc(CC(=O)NNc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000826324864 607719592 /nfs/dbraw/zinc/71/95/92/607719592.db2.gz HHJNFRFVDMEREI-UHFFFAOYSA-N -1 3 329.389 1.626 20 50 EDGDHM CCCn1nc(C)c(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1C ZINC000825363105 607720565 /nfs/dbraw/zinc/72/05/65/607720565.db2.gz UBFOFHQJEBGVSY-UHFFFAOYSA-N -1 3 340.391 1.847 20 50 EDGDHM CCCn1nc(C)c(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1C ZINC000825363105 607720567 /nfs/dbraw/zinc/72/05/67/607720567.db2.gz UBFOFHQJEBGVSY-UHFFFAOYSA-N -1 3 340.391 1.847 20 50 EDGDHM O=C([O-])NCCCC(=O)NNC(=O)c1cccc(CN2CCCC2)c1 ZINC000834230031 605976353 /nfs/dbraw/zinc/97/63/53/605976353.db2.gz OFCXDUJOPXBYQV-UHFFFAOYSA-N -1 3 348.403 1.091 20 50 EDGDHM Cc1ccc(NC(=O)C(=O)NN=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000826290727 607884902 /nfs/dbraw/zinc/88/49/02/607884902.db2.gz XONKJCFAKQWKLI-UHFFFAOYSA-N -1 3 349.354 1.264 20 50 EDGDHM Cc1ccc(NC(=O)C(=O)NN=Cc2ccccc2-c2nn[n-]n2)cc1 ZINC000826290727 607884903 /nfs/dbraw/zinc/88/49/03/607884903.db2.gz XONKJCFAKQWKLI-UHFFFAOYSA-N -1 3 349.354 1.264 20 50 EDGDHM CCc1nc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000825744489 607887943 /nfs/dbraw/zinc/88/79/43/607887943.db2.gz BENJCMSDYJCBTI-UHFFFAOYSA-N -1 3 327.373 1.650 20 50 EDGDHM CCc1nc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000825744489 607887944 /nfs/dbraw/zinc/88/79/44/607887944.db2.gz BENJCMSDYJCBTI-UHFFFAOYSA-N -1 3 327.373 1.650 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1scnc1C1CC1 ZINC000826449145 608031733 /nfs/dbraw/zinc/03/17/33/608031733.db2.gz DJTHBMGXSBUOPI-UHFFFAOYSA-N -1 3 327.373 1.958 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1scnc1C1CC1 ZINC000826449145 608031734 /nfs/dbraw/zinc/03/17/34/608031734.db2.gz DJTHBMGXSBUOPI-UHFFFAOYSA-N -1 3 327.373 1.958 20 50 EDGDHM COc1cccc([C@H](O)C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826215847 608202926 /nfs/dbraw/zinc/20/29/26/608202926.db2.gz 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ZINC000825348736 608274305 /nfs/dbraw/zinc/27/43/05/608274305.db2.gz YMEHZGRTVFGDHL-UHFFFAOYSA-N -1 3 341.379 1.701 20 50 EDGDHM CCCc1cc(NC(=O)NNc2cccc(-c3nn[n-]n3)c2)n(C)n1 ZINC000825348736 608274307 /nfs/dbraw/zinc/27/43/07/608274307.db2.gz YMEHZGRTVFGDHL-UHFFFAOYSA-N -1 3 341.379 1.701 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)Nc1ccn(CC(F)F)n1 ZINC000826448298 608816048 /nfs/dbraw/zinc/81/60/48/608816048.db2.gz PXDWECMCIGKEAK-UHFFFAOYSA-N -1 3 349.305 1.477 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)Nc1ccn(CC(F)F)n1 ZINC000826448298 608816049 /nfs/dbraw/zinc/81/60/49/608816049.db2.gz PXDWECMCIGKEAK-UHFFFAOYSA-N -1 3 349.305 1.477 20 50 EDGDHM CC(=NNC(=O)c1cc(C)n[nH]1)c1ccc(-c2nnn[n-]2)cc1F ZINC000823948767 609276830 /nfs/dbraw/zinc/27/68/30/609276830.db2.gz XEIQNPGDKISJHS-UHFFFAOYSA-N -1 3 328.311 1.191 20 50 EDGDHM CC(=NNC(=O)c1cc(C)n[nH]1)c1ccc(-c2nn[n-]n2)cc1F ZINC000823948767 609276832 /nfs/dbraw/zinc/27/68/32/609276832.db2.gz XEIQNPGDKISJHS-UHFFFAOYSA-N -1 3 328.311 1.191 20 50 EDGDHM C[C@H]1CCCC[C@H]1OCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824936696 607340603 /nfs/dbraw/zinc/34/06/03/607340603.db2.gz LGMVFQRHLYVFOC-SMDDNHRTSA-N -1 3 330.392 1.905 20 50 EDGDHM O=C(CSC[C@H]1CCCCO1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826419504 607340715 /nfs/dbraw/zinc/34/07/15/607340715.db2.gz ADSBAYKCDLHLNO-CYBMUJFWSA-N -1 3 348.432 1.612 20 50 EDGDHM O=C(CSCc1cccnc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826420722 607343583 /nfs/dbraw/zinc/34/35/83/607343583.db2.gz ZBBBUAKXWOQUJT-UHFFFAOYSA-N -1 3 341.400 1.638 20 50 EDGDHM COc1cccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1OC ZINC000826214268 607344257 /nfs/dbraw/zinc/34/42/57/607344257.db2.gz GNAVCZMORMOGSJ-UHFFFAOYSA-N -1 3 340.343 1.641 20 50 EDGDHM N#CCOc1ccc(CC(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826381928 607345985 /nfs/dbraw/zinc/34/59/85/607345985.db2.gz GKJWIUDPUAPJSW-UHFFFAOYSA-N -1 3 349.354 1.455 20 50 EDGDHM C[C@@H](Oc1ccccc1C#N)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824753141 607348703 /nfs/dbraw/zinc/34/87/03/607348703.db2.gz 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607724484 /nfs/dbraw/zinc/72/44/84/607724484.db2.gz LZFIDDLAYVQJPB-UHFFFAOYSA-N -1 3 348.370 1.668 20 50 EDGDHM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)[C@H](C)CN1C[C@H](C)O[C@@H](C)C1 ZINC000833800229 605624005 /nfs/dbraw/zinc/62/40/05/605624005.db2.gz BWWXDLXZVOYGFK-XWUBHJNHSA-N -1 3 342.440 1.270 20 50 EDGDHM N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826384114 608574761 /nfs/dbraw/zinc/57/47/61/608574761.db2.gz HLJUZSFQNCXIKP-UHFFFAOYSA-N -1 3 340.734 1.544 20 50 EDGDHM N#Cc1cc(Cl)nc(NNC(=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826384114 608574762 /nfs/dbraw/zinc/57/47/62/608574762.db2.gz HLJUZSFQNCXIKP-UHFFFAOYSA-N -1 3 340.734 1.544 20 50 EDGDHM C=CCCC[C@@H](C)NC(=O)NNC(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823893878 608589508 /nfs/dbraw/zinc/58/95/08/608589508.db2.gz AJSPFRUZZHXZBF-LLVKDONJSA-N -1 3 343.391 1.556 20 50 EDGDHM C=CCCC[C@@H](C)NC(=O)NNC(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823893878 608589509 /nfs/dbraw/zinc/58/95/09/608589509.db2.gz AJSPFRUZZHXZBF-LLVKDONJSA-N -1 3 343.391 1.556 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/nfs/dbraw/zinc/64/66/64/607646664.db2.gz SBFRHJMNAUMVHG-UHFFFAOYSA-N -1 3 339.315 1.840 20 50 EDGDHM COc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000826187279 607715129 /nfs/dbraw/zinc/71/51/29/607715129.db2.gz IZMMYANNJXRKIV-UHFFFAOYSA-N -1 3 328.307 1.771 20 50 EDGDHM COc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000826187279 607715131 /nfs/dbraw/zinc/71/51/31/607715131.db2.gz IZMMYANNJXRKIV-UHFFFAOYSA-N -1 3 328.307 1.771 20 50 EDGDHM Cc1ccc(-c2nnn[n-]2)cc1NC(=O)NNC(=O)c1ccccc1 ZINC000826277879 608843366 /nfs/dbraw/zinc/84/33/66/608843366.db2.gz KWODRKFZEDBVKL-UHFFFAOYSA-N -1 3 337.343 1.642 20 50 EDGDHM Cc1ccc(-c2nn[n-]n2)cc1NC(=O)NNC(=O)c1ccccc1 ZINC000826277879 608843371 /nfs/dbraw/zinc/84/33/71/608843371.db2.gz KWODRKFZEDBVKL-UHFFFAOYSA-N -1 3 337.343 1.642 20 50 EDGDHM CC(=NNC(=O)NC1CCCC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948512 609159146 /nfs/dbraw/zinc/15/91/46/609159146.db2.gz QBMZSRNYNOSUBO-UHFFFAOYSA-N -1 3 331.355 1.972 20 50 EDGDHM CC(=NNC(=O)NC1CCCC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823948512 609159148 /nfs/dbraw/zinc/15/91/48/609159148.db2.gz QBMZSRNYNOSUBO-UHFFFAOYSA-N -1 3 331.355 1.972 20 50 EDGDHM O=C(NNc1ccc(F)cc1F)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826447522 609254139 /nfs/dbraw/zinc/25/41/39/609254139.db2.gz JSJFKFNGAYGVHD-ZDUSSCGKSA-N -1 3 346.297 1.322 20 50 EDGDHM O=C(NNc1ccc(F)cc1F)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826447522 609254140 /nfs/dbraw/zinc/25/41/40/609254140.db2.gz JSJFKFNGAYGVHD-ZDUSSCGKSA-N -1 3 346.297 1.322 20 50 EDGDHM O=C(COc1ccccc1-c1nnn[n-]1)NNc1cc(Cl)ccn1 ZINC000826419166 609399668 /nfs/dbraw/zinc/39/96/68/609399668.db2.gz MAJQVGSHYIVUEV-UHFFFAOYSA-N -1 3 345.750 1.437 20 50 EDGDHM O=C(COc1ccccc1-c1nn[n-]n1)NNc1cc(Cl)ccn1 ZINC000826419166 609399669 /nfs/dbraw/zinc/39/96/69/609399669.db2.gz MAJQVGSHYIVUEV-UHFFFAOYSA-N -1 3 345.750 1.437 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H]1COc2ccccc2O1 ZINC000826448026 607335989 /nfs/dbraw/zinc/33/59/89/607335989.db2.gz 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ZINC000826358061 607398143 /nfs/dbraw/zinc/39/81/43/607398143.db2.gz CHLHVPVFSRTWNR-UHFFFAOYSA-N -1 3 334.343 1.510 20 50 EDGDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)NNc1cccc2cnccc21 ZINC000826358061 607398144 /nfs/dbraw/zinc/39/81/44/607398144.db2.gz CHLHVPVFSRTWNR-UHFFFAOYSA-N -1 3 334.343 1.510 20 50 EDGDHM COc1ccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000826187572 607713384 /nfs/dbraw/zinc/71/33/84/607713384.db2.gz WOGOUDMORKOAKH-UHFFFAOYSA-N -1 3 328.307 1.771 20 50 EDGDHM COc1ccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000826187572 607713386 /nfs/dbraw/zinc/71/33/86/607713386.db2.gz WOGOUDMORKOAKH-UHFFFAOYSA-N -1 3 328.307 1.771 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cc(=O)c2ccccc2o1 ZINC000826448466 607721697 /nfs/dbraw/zinc/72/16/97/607721697.db2.gz WXEJHDNOTYAVBQ-UHFFFAOYSA-N -1 3 348.322 1.730 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cc(=O)c2ccccc2o1 ZINC000826448466 607721699 /nfs/dbraw/zinc/72/16/99/607721699.db2.gz WXEJHDNOTYAVBQ-UHFFFAOYSA-N -1 3 348.322 1.730 20 50 EDGDHM Cc1noc(C)c1CCC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826338785 607729850 /nfs/dbraw/zinc/72/98/50/607729850.db2.gz IFQFVYFZJNESKR-UHFFFAOYSA-N -1 3 327.348 1.547 20 50 EDGDHM Cc1noc(C)c1CCC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826338785 607729853 /nfs/dbraw/zinc/72/98/53/607729853.db2.gz IFQFVYFZJNESKR-UHFFFAOYSA-N -1 3 327.348 1.547 20 50 EDGDHM O=C(C[C@@H](O)c1cccc(F)c1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826403931 608277352 /nfs/dbraw/zinc/27/73/52/608277352.db2.gz IXWSKFJFBITQEL-CQSZACIVSA-N -1 3 342.334 1.573 20 50 EDGDHM CC(C)(Oc1ccc(-c2nn[n-]n2)cc1)C(=O)NNc1ccccn1 ZINC000824173263 609262313 /nfs/dbraw/zinc/26/23/13/609262313.db2.gz WQPPXGANAWLUSJ-UHFFFAOYSA-N -1 3 339.359 1.562 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@@H](F)Cc1ccccc1 ZINC000826447644 609391191 /nfs/dbraw/zinc/39/11/91/609391191.db2.gz PJWKMLOJLQZEPC-AWEZNQCLSA-N -1 3 326.335 1.891 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@@H](F)Cc1ccccc1 ZINC000826447644 609391193 /nfs/dbraw/zinc/39/11/93/609391193.db2.gz 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O=C(NNc1ncccc1C(F)(F)F)c1ccc(-c2nnn[n-]2)[nH]1 ZINC000826449832 608165350 /nfs/dbraw/zinc/16/53/50/608165350.db2.gz LFMHJLHBLXKSQK-UHFFFAOYSA-N -1 3 338.253 1.366 20 50 EDGDHM O=C(NNc1ncccc1C(F)(F)F)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000826449832 608165352 /nfs/dbraw/zinc/16/53/52/608165352.db2.gz LFMHJLHBLXKSQK-UHFFFAOYSA-N -1 3 338.253 1.366 20 50 EDGDHM COc1cccc([C@H](O)C(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826214941 608203145 /nfs/dbraw/zinc/20/31/45/608203145.db2.gz BMGMXSGFVSULDR-AWEZNQCLSA-N -1 3 340.343 1.052 20 50 EDGDHM COc1cccc([C@@H](O)C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1 ZINC000826215848 608203153 /nfs/dbraw/zinc/20/31/53/608203153.db2.gz ZWUFPWAPYUSWTB-CQSZACIVSA-N -1 3 340.343 1.052 20 50 EDGDHM COc1cccc([C@@H](O)C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1 ZINC000826215848 608203154 /nfs/dbraw/zinc/20/31/54/608203154.db2.gz ZWUFPWAPYUSWTB-CQSZACIVSA-N -1 3 340.343 1.052 20 50 EDGDHM CC(=NNC(=O)c1ccc(N)cc1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823948064 609156828 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C[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824936693 607340476 /nfs/dbraw/zinc/34/04/76/607340476.db2.gz LGMVFQRHLYVFOC-RISCZKNCSA-N -1 3 330.392 1.905 20 50 EDGDHM CC(C)CCn1cc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)nn1 ZINC000824249838 607343988 /nfs/dbraw/zinc/34/39/88/607343988.db2.gz VRDIRMVZYKGVAJ-UHFFFAOYSA-N -1 3 341.379 1.261 20 50 EDGDHM Cc1c(NNC(=O)c2sccc2-c2nnn[n-]2)cccc1[N+](=O)[O-] ZINC000826242931 607395796 /nfs/dbraw/zinc/39/57/96/607395796.db2.gz MMWDZNBTOVPXEG-UHFFFAOYSA-N -1 3 345.344 1.902 20 50 EDGDHM Cc1c(NNC(=O)c2sccc2-c2nn[n-]n2)cccc1[N+](=O)[O-] ZINC000826242931 607395797 /nfs/dbraw/zinc/39/57/97/607395797.db2.gz MMWDZNBTOVPXEG-UHFFFAOYSA-N -1 3 345.344 1.902 20 50 EDGDHM Cc1c(NNC(=O)c2ccc(-c3nnn[n-]3)cn2)cccc1[N+](=O)[O-] ZINC000826243180 607395845 /nfs/dbraw/zinc/39/58/45/607395845.db2.gz XVOAVPMPYCMXKR-UHFFFAOYSA-N -1 3 340.303 1.235 20 50 EDGDHM Cc1c(NNC(=O)c2ccc(-c3nn[n-]n3)cn2)cccc1[N+](=O)[O-] ZINC000826243180 607395847 /nfs/dbraw/zinc/39/58/47/607395847.db2.gz XVOAVPMPYCMXKR-UHFFFAOYSA-N -1 3 340.303 1.235 20 50 EDGDHM COc1ccc(C=NNC(=O)c2ncccc2C)cc1-c1nnn[n-]1 ZINC000826190948 607783138 /nfs/dbraw/zinc/78/31/38/607783138.db2.gz RNPWXFQUGRDQIV-UHFFFAOYSA-N -1 3 337.343 1.343 20 50 EDGDHM COc1ccc(C=NNC(=O)c2ncccc2C)cc1-c1nn[n-]n1 ZINC000826190948 607783139 /nfs/dbraw/zinc/78/31/39/607783139.db2.gz RNPWXFQUGRDQIV-UHFFFAOYSA-N -1 3 337.343 1.343 20 50 EDGDHM CC(C)CC(=O)NNC(=O)[C@H](C)N(C)C1CCC(NC(=O)[O-])CC1 ZINC000824170970 603834648 /nfs/dbraw/zinc/83/46/48/603834648.db2.gz VVXKWPZBZRJRCA-HIFPTAJRSA-N -1 3 342.440 1.079 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2c(c1)CCC2 ZINC000826447862 607721251 /nfs/dbraw/zinc/72/12/51/607721251.db2.gz ZFEGPIZBPHDZAV-UHFFFAOYSA-N -1 3 348.366 1.681 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2c(c1)CCC2 ZINC000826447862 607721253 /nfs/dbraw/zinc/72/12/53/607721253.db2.gz ZFEGPIZBPHDZAV-UHFFFAOYSA-N -1 3 348.366 1.681 20 50 EDGDHM Cc1cccc(C(=O)NNc2cccc(-c3nnn[n-]3)c2)c1[N+](=O)[O-] ZINC000826295919 607726091 /nfs/dbraw/zinc/72/60/91/607726091.db2.gz CYASJDZMZQKSBF-UHFFFAOYSA-N -1 3 339.315 1.840 20 50 EDGDHM Cc1cccc(C(=O)NNc2cccc(-c3nn[n-]n3)c2)c1[N+](=O)[O-] ZINC000826295919 607726093 /nfs/dbraw/zinc/72/60/93/607726093.db2.gz CYASJDZMZQKSBF-UHFFFAOYSA-N -1 3 339.315 1.840 20 50 EDGDHM CC(C[C@H](C)NC(=O)[O-])=NNC(=O)[C@H](C)CN1C[C@@H](C)O[C@H](C)C1 ZINC000833800230 605624093 /nfs/dbraw/zinc/62/40/93/605624093.db2.gz BWWXDLXZVOYGFK-ZMJPVWNMSA-N -1 3 342.440 1.270 20 50 EDGDHM COCC[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826153824 607837611 /nfs/dbraw/zinc/83/76/11/607837611.db2.gz AUXHERODQDOYSW-BNDQCTAISA-N -1 3 344.375 1.389 20 50 EDGDHM COCC[C@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826153824 607837612 /nfs/dbraw/zinc/83/76/12/607837612.db2.gz AUXHERODQDOYSW-BNDQCTAISA-N -1 3 344.375 1.389 20 50 EDGDHM CN(C)c1ncc(C=NNC(=O)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825883499 607887928 /nfs/dbraw/zinc/88/79/28/607887928.db2.gz IQICAFQCKDJTJG-UHFFFAOYSA-N -1 3 342.388 1.153 20 50 EDGDHM CN(C)c1ncc(C=NNC(=O)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825883499 607887929 /nfs/dbraw/zinc/88/79/29/607887929.db2.gz IQICAFQCKDJTJG-UHFFFAOYSA-N -1 3 342.388 1.153 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H](O)c1ccccc1Cl ZINC000826448528 608203523 /nfs/dbraw/zinc/20/35/23/608203523.db2.gz YWUAFOZRDYEKJZ-CYBMUJFWSA-N -1 3 344.762 1.697 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H](O)c1ccccc1Cl ZINC000826448528 608203525 /nfs/dbraw/zinc/20/35/25/608203525.db2.gz YWUAFOZRDYEKJZ-CYBMUJFWSA-N -1 3 344.762 1.697 20 50 EDGDHM Cn1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000826363243 608883460 /nfs/dbraw/zinc/88/34/60/608883460.db2.gz DJOXYYODGJDXOU-UXBLZVDNSA-N -1 3 338.306 1.285 20 50 EDGDHM Cn1ccc(NC(=O)C(C#N)=Cc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000826363243 608883463 /nfs/dbraw/zinc/88/34/63/608883463.db2.gz DJOXYYODGJDXOU-UXBLZVDNSA-N -1 3 338.306 1.285 20 50 EDGDHM CCC[C@H]1C[C@H](C(=O)NNc2cccc(-c3nnn[n-]3)c2)CCO1 ZINC000825251189 609164199 /nfs/dbraw/zinc/16/41/99/609164199.db2.gz AMXCFDUDIHSEIQ-OCCSQVGLSA-N -1 3 330.392 1.905 20 50 EDGDHM CCC[C@H]1C[C@H](C(=O)NNc2cccc(-c3nn[n-]n3)c2)CCO1 ZINC000825251189 609164200 /nfs/dbraw/zinc/16/42/00/609164200.db2.gz AMXCFDUDIHSEIQ-OCCSQVGLSA-N -1 3 330.392 1.905 20 50 EDGDHM C[C@](O)(Cc1ccccc1)C(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000824677076 607343649 /nfs/dbraw/zinc/34/36/49/607343649.db2.gz AVFJQFGYXALMBN-KRWDZBQOSA-N -1 3 338.371 1.304 20 50 EDGDHM NC(=O)c1cccc(NC(=O)NNc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826394042 607672697 /nfs/dbraw/zinc/67/26/97/607672697.db2.gz UQJVGHSJEYJYNT-UHFFFAOYSA-N -1 3 338.331 1.114 20 50 EDGDHM C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000824506279 607717247 /nfs/dbraw/zinc/71/72/47/607717247.db2.gz NFIXRJPESNRESL-VIFPVBQESA-N -1 3 347.379 1.223 20 50 EDGDHM C[C@H](NC(=O)OC(C)(C)C)C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000824506279 607717248 /nfs/dbraw/zinc/71/72/48/607717248.db2.gz NFIXRJPESNRESL-VIFPVBQESA-N -1 3 347.379 1.223 20 50 EDGDHM O=C(NCc1ncccc1F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826443931 607782603 /nfs/dbraw/zinc/78/26/03/607782603.db2.gz KCCBGCUSNLYNLB-UHFFFAOYSA-N -1 3 328.311 1.227 20 50 EDGDHM O=C(NCc1ncccc1F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826443931 607782604 /nfs/dbraw/zinc/78/26/04/607782604.db2.gz KCCBGCUSNLYNLB-UHFFFAOYSA-N -1 3 328.311 1.227 20 50 EDGDHM COCC[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nnn[n-]2)n(C)c1C ZINC000826153827 607837533 /nfs/dbraw/zinc/83/75/33/607837533.db2.gz AUXHERODQDOYSW-SRMXYGTFSA-N -1 3 344.375 1.389 20 50 EDGDHM COCC[C@@H](C)OC(=O)C(C#N)=Cc1cc(-c2nn[n-]n2)n(C)c1C ZINC000826153827 607837534 /nfs/dbraw/zinc/83/75/34/607837534.db2.gz AUXHERODQDOYSW-SRMXYGTFSA-N -1 3 344.375 1.389 20 50 EDGDHM Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826321551 608200515 /nfs/dbraw/zinc/20/05/15/608200515.db2.gz IBULBYZNZRQPEI-VIFPVBQESA-N -1 3 340.391 1.844 20 50 EDGDHM Cc1nn(C)c(C)c1NC(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826333409 608271224 /nfs/dbraw/zinc/27/12/24/608271224.db2.gz GRIBQZZZNQUENK-UHFFFAOYSA-N -1 3 327.352 1.366 20 50 EDGDHM Cc1nn(C)c(C)c1NC(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826333409 608271225 /nfs/dbraw/zinc/27/12/25/608271225.db2.gz GRIBQZZZNQUENK-UHFFFAOYSA-N -1 3 327.352 1.366 20 50 EDGDHM COc1cccc(NNC(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000826216517 609158727 /nfs/dbraw/zinc/15/87/27/609158727.db2.gz CBQOWAMMCIZPKC-UHFFFAOYSA-N -1 3 344.310 1.558 20 50 EDGDHM COc1cccc(NNC(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000826216517 609158729 /nfs/dbraw/zinc/15/87/29/609158729.db2.gz CBQOWAMMCIZPKC-UHFFFAOYSA-N -1 3 344.310 1.558 20 50 EDGDHM CC(=NNC(=O)c1ncccc1C)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953509 609160220 /nfs/dbraw/zinc/16/02/20/609160220.db2.gz CZOHCAKLUKZUJQ-UHFFFAOYSA-N -1 3 339.334 1.863 20 50 EDGDHM CC(=NNC(=O)c1ncccc1C)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953509 609160222 /nfs/dbraw/zinc/16/02/22/609160222.db2.gz CZOHCAKLUKZUJQ-UHFFFAOYSA-N -1 3 339.334 1.863 20 50 EDGDHM CC1(C)CC[C@@H](C(=O)NNC(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824795655 609382783 /nfs/dbraw/zinc/38/27/83/609382783.db2.gz BGKPXEHSSFBTMO-GFCCVEGCSA-N -1 3 328.376 1.454 20 50 EDGDHM CC1(C)CC[C@@H](C(=O)NNC(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824795655 609382781 /nfs/dbraw/zinc/38/27/81/609382781.db2.gz BGKPXEHSSFBTMO-GFCCVEGCSA-N -1 3 328.376 1.454 20 50 EDGDHM O=C(NNc1ccc(-c2nnn[n-]2)c(Cl)c1)Nc1nncs1 ZINC000826446639 609497984 /nfs/dbraw/zinc/49/79/84/609497984.db2.gz SOAKYMLEALPVFQ-UHFFFAOYSA-N -1 3 337.756 1.520 20 50 EDGDHM O=C(NNc1ccc(-c2nn[n-]n2)c(Cl)c1)Nc1nncs1 ZINC000826446639 609497985 /nfs/dbraw/zinc/49/79/85/609497985.db2.gz SOAKYMLEALPVFQ-UHFFFAOYSA-N -1 3 337.756 1.520 20 50 EDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(NC2CC2)nc1 ZINC000826447008 607339556 /nfs/dbraw/zinc/33/95/56/607339556.db2.gz JBBNHTYCXGIMMN-UHFFFAOYSA-N -1 3 336.359 1.593 20 50 EDGDHM O=C(CCOc1ccc(F)cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826408072 607339642 /nfs/dbraw/zinc/33/96/42/607339642.db2.gz OLZSXJLUMQNOGP-UHFFFAOYSA-N -1 3 342.334 1.918 20 50 EDGDHM CON=Cc1ccc(C(=O)NNc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000826166321 607344376 /nfs/dbraw/zinc/34/43/76/607344376.db2.gz FTADEVRDDSVMCK-UHFFFAOYSA-N -1 3 337.343 1.604 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnc2ccccc2n1 ZINC000826449176 607714500 /nfs/dbraw/zinc/71/45/00/607714500.db2.gz FPMNWAWCYBPNPR-UHFFFAOYSA-N -1 3 332.327 1.567 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnc2ccccc2n1 ZINC000826449176 607714502 /nfs/dbraw/zinc/71/45/02/607714502.db2.gz FPMNWAWCYBPNPR-UHFFFAOYSA-N -1 3 332.327 1.567 20 50 EDGDHM O=C(Cc1ccc(F)c(F)c1)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826422848 607715866 /nfs/dbraw/zinc/71/58/66/607715866.db2.gz OMLZHRSUGWBQKV-UHFFFAOYSA-N -1 3 330.298 1.831 20 50 EDGDHM O=C(Cc1ccc(F)c(F)c1)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826422848 607715868 /nfs/dbraw/zinc/71/58/68/607715868.db2.gz OMLZHRSUGWBQKV-UHFFFAOYSA-N -1 3 330.298 1.831 20 50 EDGDHM O=C(COc1ccc(F)cc1F)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826418087 607719581 /nfs/dbraw/zinc/71/95/81/607719581.db2.gz QSDDOCYKGDSTIK-UHFFFAOYSA-N -1 3 346.297 1.667 20 50 EDGDHM O=C(COc1ccc(F)cc1F)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826418087 607719582 /nfs/dbraw/zinc/71/95/82/607719582.db2.gz QSDDOCYKGDSTIK-UHFFFAOYSA-N -1 3 346.297 1.667 20 50 EDGDHM O=C(Cc1c[nH]c2ncccc12)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826421462 607724982 /nfs/dbraw/zinc/72/49/82/607724982.db2.gz JCFHCOAVQATEMV-UHFFFAOYSA-N -1 3 334.343 1.429 20 50 EDGDHM O=C(Cc1c[nH]c2ncccc12)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826421462 607724984 /nfs/dbraw/zinc/72/49/84/607724984.db2.gz JCFHCOAVQATEMV-UHFFFAOYSA-N -1 3 334.343 1.429 20 50 EDGDHM Cc1noc2ncc(C(=O)NNc3cccc(-c4nnn[n-]4)c3)cc12 ZINC000826340062 607726708 /nfs/dbraw/zinc/72/67/08/607726708.db2.gz GDXNPYURCNLLSU-UHFFFAOYSA-N -1 3 336.315 1.468 20 50 EDGDHM Cc1noc2ncc(C(=O)NNc3cccc(-c4nn[n-]n4)c3)cc12 ZINC000826340062 607726710 /nfs/dbraw/zinc/72/67/10/607726710.db2.gz 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O=C(NNc1cccc(-c2nnn[n-]2)c1)[C@H](F)Cc1ccccc1 ZINC000826447645 609391733 /nfs/dbraw/zinc/39/17/33/609391733.db2.gz PJWKMLOJLQZEPC-CQSZACIVSA-N -1 3 326.335 1.891 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)[C@H](F)Cc1ccccc1 ZINC000826447645 609391735 /nfs/dbraw/zinc/39/17/35/609391735.db2.gz PJWKMLOJLQZEPC-CQSZACIVSA-N -1 3 326.335 1.891 20 50 EDGDHM CC[C@H](C)[C@H](C)C(=O)NNC(=O)COc1ccc(-c2nn[n-]n2)cc1 ZINC000825052746 609534029 /nfs/dbraw/zinc/53/40/29/609534029.db2.gz YIDJQOUNYQWZQC-QWRGUYRKSA-N -1 3 346.391 1.075 20 50 EDGDHM O=C(NNc1cccc(-c2nnn[n-]2)c1)c1cnn(-c2cccnc2)c1 ZINC000826449570 607335198 /nfs/dbraw/zinc/33/51/98/607335198.db2.gz ZBPZZWCIYMKYJN-UHFFFAOYSA-N -1 3 347.342 1.204 20 50 EDGDHM O=C(NNc1cccc(-c2nn[n-]n2)c1)c1cnn(-c2cccnc2)c1 ZINC000826449570 607335200 /nfs/dbraw/zinc/33/52/00/607335200.db2.gz ZBPZZWCIYMKYJN-UHFFFAOYSA-N -1 3 347.342 1.204 20 50 EDGDHM C[C@H]1CCC[C@H](OCC(=O)NNc2cccc(-c3nnn[n-]3)c2)C1 ZINC000824929159 607337472 /nfs/dbraw/zinc/33/74/72/607337472.db2.gz WSFWSDUAXKSJMZ-FZMZJTMJSA-N -1 3 330.392 1.905 20 50 EDGDHM C[C@H]1CCC[C@H](OCC(=O)NNc2cccc(-c3nn[n-]n3)c2)C1 ZINC000824929159 607337474 /nfs/dbraw/zinc/33/74/74/607337474.db2.gz WSFWSDUAXKSJMZ-FZMZJTMJSA-N -1 3 330.392 1.905 20 50 EDGDHM O=C(NNc1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2cncn2)cc1 ZINC000826447255 607351159 /nfs/dbraw/zinc/35/11/59/607351159.db2.gz WUGLXSNANLDXTF-UHFFFAOYSA-N -1 3 347.342 1.204 20 50 EDGDHM O=C(Cc1ccc([N+](=O)[O-])cc1)NNc1ccc(-c2nn[n-]n2)cc1 ZINC000826422814 607355532 /nfs/dbraw/zinc/35/55/32/607355532.db2.gz NBYHHINHVKOXOX-UHFFFAOYSA-N -1 3 339.315 1.461 20 50 EDGDHM O=C(NNc1cccc(Br)c1)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000826449157 607713061 /nfs/dbraw/zinc/71/30/61/607713061.db2.gz DWNDQAMUWPPSGY-UHFFFAOYSA-N -1 3 348.164 1.714 20 50 EDGDHM O=C(NNc1cccc(Br)c1)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000826449157 607713063 /nfs/dbraw/zinc/71/30/63/607713063.db2.gz DWNDQAMUWPPSGY-UHFFFAOYSA-N -1 3 348.164 1.714 20 50 EDGDHM COc1cccc(F)c1C(=O)NNc1cccc(-c2nnn[n-]2)c1 ZINC000826216786 607713269 /nfs/dbraw/zinc/71/32/69/607713269.db2.gz NHKILMUYJQMMNY-UHFFFAOYSA-N -1 3 328.307 1.771 20 50 EDGDHM COc1cccc(F)c1C(=O)NNc1cccc(-c2nn[n-]n2)c1 ZINC000826216786 607713270 /nfs/dbraw/zinc/71/32/70/607713270.db2.gz NHKILMUYJQMMNY-UHFFFAOYSA-N -1 3 328.307 1.771 20 50 EDGDHM C#CCN1CCC(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1 ZINC000833364602 605246452 /nfs/dbraw/zinc/24/64/52/605246452.db2.gz QABDNDVKWQRWJQ-UHFFFAOYSA-N -1 3 335.791 1.827 20 50 EDGDHM CCOC(=O)NNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000825522102 608808252 /nfs/dbraw/zinc/80/82/52/608808252.db2.gz BHNYESBXXOBWBR-UHFFFAOYSA-N -1 3 349.351 1.437 20 50 EDGDHM CCOC(=O)NNC(=O)Nc1cc(-c2nn[n-]n2)ccc1OC(C)C ZINC000825522102 608808256 /nfs/dbraw/zinc/80/82/56/608808256.db2.gz BHNYESBXXOBWBR-UHFFFAOYSA-N -1 3 349.351 1.437 20 50 EDGDHM N#CC1=CCN(C(=O)[C@@H]2CCCN2c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826380610 609166232 /nfs/dbraw/zinc/16/62/32/609166232.db2.gz HPYHXEJHOGPEBI-INIZCTEOSA-N -1 3 349.398 1.518 20 50 EDGDHM COc1cccc(NNC(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)n1 ZINC000826216849 609174042 /nfs/dbraw/zinc/17/40/42/609174042.db2.gz PZKDZRGOCORCCQ-UHFFFAOYSA-N -1 3 347.285 1.305 20 50 EDGDHM COc1cccc(NNC(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)n1 ZINC000826216849 609174044 /nfs/dbraw/zinc/17/40/44/609174044.db2.gz PZKDZRGOCORCCQ-UHFFFAOYSA-N -1 3 347.285 1.305 20 50 EDGDHM O=C(NNc1ccc(Br)cc1)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000826447433 609228812 /nfs/dbraw/zinc/22/88/12/609228812.db2.gz FXEYOQYLUNQAAJ-UHFFFAOYSA-N -1 3 348.164 1.714 20 50 EDGDHM O=C(NNc1ccc(Br)cc1)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000826447433 609228813 /nfs/dbraw/zinc/22/88/13/609228813.db2.gz FXEYOQYLUNQAAJ-UHFFFAOYSA-N -1 3 348.164 1.714 20 50 EDGDHM C[C@@H](Oc1ccccc1-c1nnn[n-]1)C(=O)NNc1ccccn1 ZINC000824745931 609262025 /nfs/dbraw/zinc/26/20/25/609262025.db2.gz UHAKUZUCJJWQMO-SNVBAGLBSA-N -1 3 325.332 1.172 20 50 EDGDHM C[C@@H](Oc1ccccc1-c1nn[n-]n1)C(=O)NNc1ccccn1 ZINC000824745931 609262027 /nfs/dbraw/zinc/26/20/27/609262027.db2.gz UHAKUZUCJJWQMO-SNVBAGLBSA-N -1 3 325.332 1.172 20 50 EDGDHM O=C(NNc1ccnc(F)c1)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000826449204 609299499 /nfs/dbraw/zinc/29/94/99/609299499.db2.gz GSVDXMMIAOXYEB-UHFFFAOYSA-N -1 3 335.249 1.436 20 50 EDGDHM O=C(NNc1ccnc(F)c1)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000826449204 609299501 /nfs/dbraw/zinc/29/95/01/609299501.db2.gz GSVDXMMIAOXYEB-UHFFFAOYSA-N -1 3 335.249 1.436 20 50 EDGDHM COc1ccc(NNC(=O)c2cc(-c3nnn[n-]3)cn2C)cc1Cl ZINC000826210042 609452806 /nfs/dbraw/zinc/45/28/06/609452806.db2.gz BOHCZYPWUMISHK-UHFFFAOYSA-N -1 3 347.766 1.624 20 50 EDGDHM COc1ccc(NNC(=O)c2cc(-c3nn[n-]n3)cn2C)cc1Cl ZINC000826210042 609452807 /nfs/dbraw/zinc/45/28/07/609452807.db2.gz BOHCZYPWUMISHK-UHFFFAOYSA-N -1 3 347.766 1.624 20 50 EDGDHM